N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine

C17H18ClF2N — CID 64715289

IUPACN-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1cccc(Cl)c1F
InChIInChI=1S/C17H18ClF2N/c1-3-9-21-17(13-5-4-6-15(18)16(13)20)14-10-12(19)8-7-11(14)2/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyRFNGOFHOZFJWSO-UHFFFAOYSA-N
MW309.79 g/mol
LogP5.02
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine

N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 64715289) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID64715289
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1cccc(Cl)c1F
InChIInChI=1S/C17H18ClF2N/c1-3-9-21-17(13-5-4-6-15(18)16(13)20)14-10-12(19)8-7-11(14)2/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyRFNGOFHOZFJWSO-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.79
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106645482
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(3-chloro-2-fluorophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64715077
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(5-bromo-2-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397007
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 64715289) is N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1C)c1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is RFNGOFHOZFJWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-3-9-21-17(13-5-4-6-15(18)16(13)20)14-10-12(19)8-7-11(14)2/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 309.79 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 64715289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).